SCHEMBL31099161

SCHEMBL31099161

CC(c1cc(-c2ccccc2F)no1)n1cc(-c2ccc3c(c2)C(=O)N(C)C3)c2c(N)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
KDR P35968 7/20 0.39
TEK Q02763 7/20 0.39
LCK P06239 5/20 0.39
SRC P12931 1/20 0.39
EIF2AK3 Q9NZJ5 1/20 0.39
FLT3 P36888 1/20 0.37
NEK7 Q8TDX7 4/20 0.36
CFTR P13569 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20173322 1.00 RET (0.42) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20162649 0.83 KDR (0.46) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30538106 0.83 KDR (0.46) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20162651 0.83 KDR (0.46) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30037546 0.83 KDR (0.46) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20173324 0.83 KDR (0.46) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20173325 0.82 KDR (0.46) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20173328 0.81 KDR (0.45) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20162640 0.80 RET (0.46) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL20162645 0.80 RET (0.46) RETPIK3CDPIK3CAPIK3CBPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4424311-A2 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation (US) 2024-09-04 EP disclosed